SCHEMBL20170658

SCHEMBL20170658

C=CCN[C@H]1Cc2ccc(OC)c3c2C2(C)C(O3)[C@H](O)CC[C@]12O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.52
OPRK1 P41145 6/20 0.42
OPRD1 P41143 5/20 0.42
MRGPRX2 Q96LB1 2/20 0.39
ADRB1 P08588 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20170759 0.87 OPRM1 (0.52) OPRM1OPRK1OPRD1MRGPRX2
SCHEMBL20170651 0.85 OPRM1 (0.50) OPRM1OPRK1OPRD1
SCHEMBL20170777 0.84 OPRM1 (0.39) OPRM1OPRK1OPRD1
SCHEMBL20170845 0.84 OPRM1 (0.39) OPRM1OPRK1OPRD1
SCHEMBL20170721 0.82 OPRD1 (0.43) OPRM1OPRK1OPRD1
SCHEMBL20170679 0.82 OPRD1 (0.43) OPRM1OPRK1OPRD1
SCHEMBL20170828 0.78 OPRM1 (0.49) OPRM1OPRK1OPRD1
SCHEMBL13575428 0.76 OPRM1 (0.44) OPRM1OPRK1OPRD1
SCHEMBL13506887 0.76 OPRM1 (0.44) OPRM1OPRK1OPRD1
SCHEMBL20170741 0.74 OPRM1 (0.51) OPRM1OPRK1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP disclosed